UCSF

ZINC09468746

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.89 -0.55 -11.33 0 4 0 46 331.419 2
Lo Low (pH 4.5-6) 2.89 -0.44 -45.81 1 4 1 47 332.427 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )